Geometry & MOs

Info

ID:	55722
PubChem CID:	17396146
Reduced:	NO2C5H5 (3)
Stoich.:	AB2C5D5 (3)
Weight, g/mol:	351.115381
ΔH_f, kcal/mol:	-165.03
Dipole, Da:	2.39
IP(EA), eV:	-8.47(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylphenyl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)N

DOS

IR

Vibrations